2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid

C10H11Cl2NO3 — CID 94694082

IUPAC2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c11-7-2-1-3-8(10(7)12)16-5-4-13-6-9(14)15/h1-3,13H,4-6H2,(H,14,15)
InChIKeyKYILGTQLFUSKMV-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid

2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid (PubChem CID 94694082) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
PubChem CID94694082
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c11-7-2-1-3-8(10(7)12)16-5-4-13-6-9(14)15/h1-3,13H,4-6H2,(H,14,15)
InChIKeyKYILGTQLFUSKMV-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
2-(2-phenoxyethylamino)acetic acid
CID 13236095
6-[2-(2-chlorophenoxy)ethylamino]-4,4-dimethylhexanoic acid
CID 65287494
2-[2-(2,3-dichlorophenoxy)ethylamino]-3-methylbenzoic acid
CID 18803400
2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
CID 95469367
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
CID 60580427
3-(2-chloro-3-hydroxyphenoxy)propanoic acid
CID 138109800
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138
2-(2,3-dichlorophenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62598874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid (CID 94694082) is 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid is O=C(O)CNCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid?
The InChIKey is KYILGTQLFUSKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c11-7-2-1-3-8(10(7)12)16-5-4-13-6-9(14)15/h1-3,13H,4-6H2,(H,14,15).
What are the key properties of 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid?
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid has a molecular weight of 264.11 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid is sourced from PubChem (CID 94694082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).